(RS)-2-[7-(1-carboxy-2-phenylethyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenanthrolin-2-yl]-3-phenylpropionic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (RS)-2-[7-(1-carboxy-2-phenylethyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenanthrolin-2-yl]-3-phenylpropionic acid
• 英文别名: 2-[13-(1-Carboxy-2-phenylethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-phenylpropanoic acid；2-[13-(1-carboxy-2-phenylethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-phenylpropanoic acid
• 化学式: C₃₂H₂₂N₂O₈
• 分子量: 562.535
• InChiKey: GJLJJOXFZHXHAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  149
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  DL-苯丙氨酸 、 1,4,5,8-萘四甲酸酐 在 吡啶 作用下， 反应 12.0h， 以96%的产率得到(RS)-2-[7-(1-carboxy-2-phenylethyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenanthrolin-2-yl]-3-phenylpropionic acid
  参考文献：
  名称：

  Cyclomaltooligosaccharide (cyclodextrin)-assisted enantiomeric recognition of benzo[lmn][3,8]phenanthroline-derived amino acids

  摘要：

  Formation of self-assembly molecular aggregates and cyclomaltooligosaccharide (cyclodextrin) molecular aggregates with benzo[lmn][3,8]phenanthroline-derived amino acids is presented. The nature of the molecular aggregates was studied by negative-ion electrospray-ionization mass spectrometry (ESIMS). The enantiomeric recognition was demonstrated by NMR enantiomeric discrimination of the amino acid derivatives in aqueous solutions of cyclodextrins. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2005.03.002

文献信息

• Cyclomaltooligosaccharide (cyclodextrin)-assisted enantiomeric recognition of benzo[lmn][3,8]phenanthroline-derived amino acids
  作者：Branko S. Jursic、Paresh K. Patel

  DOI：10.1016/j.carres.2005.03.002

  日期：2005.5

  Formation of self-assembly molecular aggregates and cyclomaltooligosaccharide (cyclodextrin) molecular aggregates with benzo[lmn][3,8]phenanthroline-derived amino acids is presented. The nature of the molecular aggregates was studied by negative-ion electrospray-ionization mass spectrometry (ESIMS). The enantiomeric recognition was demonstrated by NMR enantiomeric discrimination of the amino acid derivatives in aqueous solutions of cyclodextrins. (c) 2005 Elsevier Ltd. All rights reserved.